furan-2-ylmethyl decanoate

C15H24O3 — CID 71587144

IUPACfuran-2-ylmethyl decanoate
SMILESCCCCCCCCCC(=O)OCc1ccco1
InChIInChI=1S/C15H24O3/c1-2-3-4-5-6-7-8-11-15(16)18-13-14-10-9-12-17-14/h9-10,12H,2-8,11,13H2,1H3
InChIKeyATRAUOWSKCEACM-UHFFFAOYSA-N
MW252.35 g/mol
LogP4.46
Rot. Bonds10

About furan-2-ylmethyl decanoate

furan-2-ylmethyl decanoate (PubChem CID 71587144) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is furan-2-ylmethyl decanoate.

Molecular Properties

Compound Namefuran-2-ylmethyl decanoate
PubChem CID71587144
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Namefuran-2-ylmethyl decanoate
SMILESCCCCCCCCCC(=O)OCc1ccco1
InChIInChI=1S/C15H24O3/c1-2-3-4-5-6-7-8-11-15(16)18-13-14-10-9-12-17-14/h9-10,12H,2-8,11,13H2,1H3
InChIKeyATRAUOWSKCEACM-UHFFFAOYSA-N
XLogP4.46
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl decanoate?
The IUPAC name of furan-2-ylmethyl decanoate (CID 71587144) is furan-2-ylmethyl decanoate.
What is the SMILES notation for furan-2-ylmethyl decanoate?
The canonical SMILES for furan-2-ylmethyl decanoate is CCCCCCCCCC(=O)OCc1ccco1.
What is the InChIKey of furan-2-ylmethyl decanoate?
The InChIKey is ATRAUOWSKCEACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-3-4-5-6-7-8-11-15(16)18-13-14-10-9-12-17-14/h9-10,12H,2-8,11,13H2,1H3.
What are the key properties of furan-2-ylmethyl decanoate?
furan-2-ylmethyl decanoate has a molecular weight of 252.35 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl decanoate is sourced from PubChem (CID 71587144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).